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21947-32-0 | Boc-Nle-OH.DCHA
CAS No: 21947-32-0 Catalog No: AG003OHG MDL No:MFCD00038968
Product Description
Catalog Number:
AG003OHG
Chemical Name:
Boc-Nle-OH.DCHA
CAS Number:
21947-32-0
Molecular Formula:
C23H44N2O4
Molecular Weight:
412.6065
MDL Number:
MFCD00038968
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h11-13H,1-10H2;8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
InChI Key:
BFEVJIUEBDZIJQ-WDBKTSHHSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
EC Number:
244-673-0
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
412.33g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.615g/mol
Monoisotopic Mass:
412.33g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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